N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide

C17H15F2N5O — CID 19365861

IUPACN-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C17H15F2N5O/c1-20-8-16(25)23-10-3-5-15-12(6-10)17(22-9-21-15)24-11-2-4-13(18)14(19)7-11/h2-7,9,20H,8H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyZYPXQBWYJMFYRQ-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.81
Rot. Bonds5

About N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide

N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide (PubChem CID 19365861) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide
PubChem CID19365861
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C17H15F2N5O/c1-20-8-16(25)23-10-3-5-15-12(6-10)17(22-9-21-15)24-11-2-4-13(18)14(19)7-11/h2-7,9,20H,8H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyZYPXQBWYJMFYRQ-UHFFFAOYSA-N
XLogP2.81
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342890
[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]urea
CID 127048977
2-chloro-N-[2-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]amino]-2-oxoethyl]-2-fluoroacetamide;4-methylphenol
CID 142342837
2-[4-(3,4-difluoroanilino)-7-methoxyquinazolin-6-yl]acetate
CID 163197421
(E)-5-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]amino]-5-oxopent-3-enoic acid
CID 18176225
5-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]amino]-5-oxopent-3-enoic acid
CID 57177273
4-[2-[[4-(4-fluoroanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 175520373
N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
CID 164578005
N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide
CID 141404276
N-[4-(4-fluoroanilino)quinazolin-6-yl]-2-(4-nitrophenyl)acetamide
CID 72737073
2-chloro-2-fluoroacetaldehyde;4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342889
(2R)-2-[(2-chloro-2-fluoroacetyl)amino]-N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-4-methylpentanamide
CID 134827853

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide (CID 19365861) is N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide is CNCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(F)c3)c2c1.
What is the InChIKey of N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide?
The InChIKey is ZYPXQBWYJMFYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-20-8-16(25)23-10-3-5-15-12(6-10)17(22-9-21-15)24-11-2-4-13(18)14(19)7-11/h2-7,9,20H,8H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide?
N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide has a molecular weight of 343.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 19365861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).